BDBM15712 N-((Anthracen-9-yl)methyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide::N-(anthracen-9-ylmethyl)-1-cyclooctyl-N-methyl-5-oxopyrrolidine-3-carboxamide::Pyrrolidine Carboxamide Compound p67
SMILES: CN(Cc1c2ccccc2cc2ccccc12)C(=O)C1CN(C2CCCCCCC2)C(=O)C1
InChI Key: InChIKey=XKVSJHXXIKYRJQ-UHFFFAOYSA-N
Data: 1 IC50
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
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Enoyl-ACP Reductase (InhA) (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM15712 (N-((Anthracen-9-yl)methyl)-1-cyclooctyl-N-methyl-5...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California at San Francisco | Assay Description The assay measured the NADH-dependent catalysis of an octenoyl-CoA substrate as a decrease in 340 nm absorbance resulting from conversion of NADH to ... | J Med Chem 49: 6308-23 (2006) Article DOI: 10.1021/jm060715y BindingDB Entry DOI: 10.7270/Q2707ZP0 | |||||||||||
More data for this Ligand-Target Pair |